2-[4-[(2-butyl-5-chloranyl-4-methyl-indol-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-butyl-5-chloranyl-4-methyl-indol-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-5-chloro-4-methyl-indol-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-5-chloro-4-methyl-1-indolyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-5-chloro-4-methylindol-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-5-chloro-4-methyl-indol-1-yl)methyl]phenyl]benzonitrile Formula: C27H25ClN2 MolecularWeight: 412.9538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=CC(=C2C)Cl

Isomeric SMILES

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=CC(=C2C)Cl

InChI

InChI=1S/C27H25ClN2/c1-3-4-8-23-16-25-19(2)26(28)14-15-27(25)30(23)18-20-10-12-21(13-11-20)24-9-6-5-7-22(24)17-29/h5-7,9-16H,3-4,8,18H2,1-2H3